Joint Sentinel-1 and SMAP data assimilation to improve soil moisture estimates

SMAP (Soil Moisture Active and Passive) radiometer observations at similar to 40 km resolution are routinely assimilated into the NASA Catchment Land Surface Model to generate the 9 km SMAP Level-4 Soil Moisture product. This study demonstrates that adding high-resolution radar observations from Sentinel-1 to the SMAP assimilation can increase the spatiotemporal accuracy of soil moisture estimates. Radar observations were assimilated either separately from or simultaneously with radiometer observations. Assimilation impact was assessed by comparing 3-hourly, 9 km surface and root-zone soil moisture simulations with in situ measurements from 9 km SMAP core validation sites and sparse networks, from May 2015 to December 2016. The Sentinel-1 assimilation consistently improved surface soil moisture, whereas root-zone impacts were mostly neutral. Relatively larger improvements were obtained from SMAP assimilation. The joint assimilation of SMAP and Sentinel-1 observations performed best, demonstrating the complementary value of radar and radiometer observations

First-principles study of TMNan (TM= Cr, Mn, Fe, Co, Ni; n = 4-7) clusters

Geometry, electronic structure, and magnetic properties of TMNan (TM=Cr-Ni; n = 4-7) clusters are studied within a gradient corrected density functional theory (DFT) framework. Two complementary approaches, the first adapted to all-electron calculations on free clusters, and the second been on plane wave projector augmented wave (PAW) method within a supercell approach are used. Except for NiNan, the clusters in this series are found to retain the atomic moments of the TM atoms, and the magnetic moment presented an odd-even oscillation with respect to the number of Na atoms. The origin of these odd-even oscillations is explained from the nature of chemical bonding in these clusters. Differences and similarities between the chemical bonding and the magnetic properties of these clusters and the TMNan (TM = Sc, V and Ti; n = 4-6) clusters on one hand, and TM-doped Au and Ag clusters on the other hand, are discussed

Deficiency in the incorporation of labeled thymidine and inhibition in the biosynthesis of interleukin-2 in lymphocytes obtained from Histoplasma capsulatum infected mice

This article provides a brief overview of the quantum chemical auxiliary density functional theory program deMon2k. A basic introduction into its key computational features is given. By selected examples, it is shown how deMon2k can contribute to the elucidation of problems in chemistry, biology, and materials science such as finite temperature effects, nuclear magnetic resonance studies, structure determinations, heterogeneous, and enzymatic catalysis. " 2011 John Wiley & Sons, Ltd.",,,,,,"10.1002/wcms.98",,,"http://hdl.handle.net/20.500.12104/40522","http://www.scopus.com/inward/record.url?eid=2-s2.0-84862514881&partnerID=40&md5=644cf71e54eb0b5eafdac82520d7fadb",,,,,,"4",,"Wiley Interdisciplinary Reviews: Computational Molecular Science",,"54

deMon2k

This article provides a brief overview of the quantum chemical auxiliary density functional theory program deMon2k. A basic introduction into its key computational features is given. By selected examples, it is shown how deMon2k can contribute to the elucidation of problems in chemistry, biology, and materials science such as finite temperature effects, nuclear magnetic resonance studies, structure determinations, heterogeneous, and enzymatic catalysis. © 2011 John Wiley & Sons, Ltd